ISDA: 9WHC

Deposition Date 2025-08-26

Release Date 2026-07-08

Last Version Date 2026-07-08

Entry Detail

PDB ID:

9WHC

Keywords:

OXIDOREDUCTASE

Title:

Crystal structure of human nNOS PDZ domain in complex with compound N28

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.80 Å

R-Value Free:

0.28

R-Value Work:

0.24

R-Value Observed:

0.24

Space Group:

C 1 2 1

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Nitric oxide synthase 1
Gene (Uniprot):NOS1
Chain IDs:A, B, C
Chain Length:126
Number of Molecules:3
Biological Source:Homo sapiens

UniProt ID:P29475 Pfam ID:PF00595 EC:1.14.13.39

Ligand Molecules

A1EWG

Primary Citation

Identification of a Potent and Selective Small-Molecule Inhibitor Targeting the nNOS-PDZ Domain that Exhibits Rapid In Vivo Antidepressant Efficacy.

Zhang, L, Xiong, Z, Chen, S, Zhu, Q, Wang, Y, Lu, Q, Bu, X, Xia, A, Chen, L, Chen, C, Shao, Z, Li, L, Yang, S.Show

J.Med.Chem. 69 14513 14529 (2026)

PMID: 42234972 DOI: 10.1021/acs.jmedchem.6c00391

Primary Citation of related structures

Feedback Form